Glycoside
GD012283
Name:
NoneFormula:
C25H29O7N9Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)N2CCN(CC(=O)Nc3cccc4c3CNC4=O)CC2)[C@H](O)[C@H]1OAglycone:
COC(=O)N1CCN(CC(=O)Nc2cccc3c2CNC3=O)CC1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 567.56 | Num_heavy_atoms: | 41 |
| TPSA: | 210.29 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD09280
Formula: C16H20O4N4
Smiles:
COC(=O)N1CCN(CC(=O)Nc2cccc3c2CNC3=O)CC1| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 332.36 | Num_heavy_atoms: | 24 |
| TPSA: | 90.98 | NumAromaticRings: | 1 |
